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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi, Can you also send the references (or files) for the
pseudopotentials, I'll try a go on your case.
In the meantime you can also try to check your own computer. For
instance you could try running a "memtest86" just to check your RAM.
regards.

PMA

On Fri, Oct 3, 2008 at 7:35 AM, sara yazdani <sarayazdani@yahoo.com> wrote:
> Dear Sir,
>
> I am working on a system dual core, 2GHz, with 3.36 GB ram. For the
> optimization of the follwoing input file, I have alot of problems, 
> including:
>
> - segmentation fault
> - stopping of the program without any error
> - restarting of the computer without any error during the run
> - the reporting of the bugs
>
> For solving these problems 1. I changed the linuxes, 2. tried different
> compilers G95, Gfortran (GCC) and intel F90. Still the problem remains.
>
> I have also tried different versions of Abinit includng 5.6.0 and 5.5.4 
> other
> than 5.4.4, but still the problem is there.
>
> I would be very glad to have your kind guide.
>
> Regards,
> Sara
>
> #Structural optimisation of first diameter wire
>   #prtvol -1
>    chkprim 0
> #Definition of the unit cell
> #**********************************
>   acell 21.274637 21.274637 9.833341
>   angdeg 90 90 120
>
> #Definition of the atoms
> #*********************
>   natom 12
>   ntypat 2
>   znucl 30 8
>   typat 6*1 6*2
>   xred   1/3  1/3  0.0
>          1/3  1/2  1/2
>          1/2  2/3  0.0
>          2/3  2/3  1/2
>          2/3  1/2  0.0
>          1/2  1/3  1/2
>          1/3  1/2  1/8
>          1/2  2/3  5/8
>          2/3  2/3  1/8
>          2/3  1/2  5/8
>          1/2  1/3  1/8
>          1/3  1/3  5/8
>
> #Definition of the scf procedure
> #******************************
>   iscf 7
>   nstep 500
>   nband 80
>
> #Definition of the plane wave basis
> #************************************
>   ecut  45
>   ecutsm 0.5
>   iprcel 45
>   kptopt 1
>   kptrlatt  1  0  0
>                  0  1  0
>                  0  0  6
>   nshiftk 1
>   shiftk  0.0 0.0 0.5
>
> #Structural relaxation
> #*********************
>   ionmov 3
>   optcell 2
>   tolvrs 1.0d-5
>   tolmxf 5.0d-5
>   ntime 250
>



-- 
Pierre-Matthieu Anglade